Geometry & MOs

Info

ID:	59250
PubChem CID:	24775831
Reduced:	ClO3N8C21H21 (1)
Stoich.:	AB3C8D21E21 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	31.84
Dipole, Da:	7.3
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-4-methyl-N-(6-piperidin-1-ylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC2=CC(=NN2)NC3=NC(=NC=C3)NCC4=CC(=NO4)C(=O)N)Cl

DOS

IR

Vibrations